2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzothiol-1-yl-1,3,5-triazine

C41H23N3OS — CID 171737207

IUPAC2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzothiol-1-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5sc6cc7ccccc7cc6c45)n3)ccc2c1
InChIInChI=1S/C41H23N3OS/c1-2-10-25-21-28(20-19-24(25)9-1)39-42-40(44-41(43-39)32-16-7-14-30-29-13-5-6-17-34(29)45-38(30)32)31-15-8-18-35-37(31)33-22-26-11-3-4-12-27(26)23-36(33)46-35/h1-23H
InChIKeyFBVKAHQHGOCSAK-UHFFFAOYSA-N
MW605.72 g/mol
LogP11.45
Rot. Bonds3

About 2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzothiol-1-yl-1,3,5-triazine

2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzothiol-1-yl-1,3,5-triazine (PubChem CID 171737207) has the molecular formula C41H23N3OS and a molecular weight of 605.72 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzothiol-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzothiol-1-yl-1,3,5-triazine
PubChem CID171737207
Molecular FormulaC41H23N3OS
Molecular Weight605.72 g/mol
Exact Mass605.16
IUPAC Name2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzothiol-1-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5sc6cc7ccccc7cc6c45)n3)ccc2c1
InChIInChI=1S/C41H23N3OS/c1-2-10-25-21-28(20-19-24(25)9-1)39-42-40(44-41(43-39)32-16-7-14-30-29-13-5-6-17-34(29)45-38(30)32)31-15-8-18-35-37(31)33-22-26-11-3-4-12-27(26)23-36(33)46-35/h1-23H
InChIKeyFBVKAHQHGOCSAK-UHFFFAOYSA-N
XLogP11.45
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.72
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzothiol-1-yl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 163883122
2-dibenzofuran-4-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166741560
2-dibenzofuran-4-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050381
2-(6-naphtho[2,3-b][1]benzothiol-1-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166741574
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 149219825
2-dibenzofuran-4-yl-4-phenyl-6-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134198584
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 139548908
2-[3-(4-naphthalen-2-ylphenyl)phenyl]-4-naphtho[2,3-b][1]benzothiol-1-yl-6-phenyl-1,3,5-triazine
CID 169053871
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
2-(9-dibenzofuran-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952912
2-(3-dibenzofuran-4-yl-5-dibenzothiophen-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 163806979

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzothiol-1-yl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzothiol-1-yl-1,3,5-triazine (CID 171737207) is 2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzothiol-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzothiol-1-yl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzothiol-1-yl-1,3,5-triazine is c1ccc2cc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5sc6cc7ccccc7cc6c45)n3)ccc2c1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzothiol-1-yl-1,3,5-triazine?
The InChIKey is FBVKAHQHGOCSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H23N3OS/c1-2-10-25-21-28(20-19-24(25)9-1)39-42-40(44-41(43-39)32-16-7-14-30-29-13-5-6-17-34(29)45-38(30)32)31-15-8-18-35-37(31)33-22-26-11-3-4-12-27(26)23-36(33)46-35/h1-23H.
What are the key properties of 2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzothiol-1-yl-1,3,5-triazine?
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzothiol-1-yl-1,3,5-triazine has a molecular weight of 605.72 g/mol, XLogP of 11.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzothiol-1-yl-1,3,5-triazine is sourced from PubChem (CID 171737207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).